4-(4-methoxyphenyl)-3-methylidene-1-[(3,4,5-trimethoxyphenyl)methyl]azetidin-2-one

C21H23NO5 — CID 123262644

IUPAC4-(4-methoxyphenyl)-3-methylidene-1-[(3,4,5-trimethoxyphenyl)methyl]azetidin-2-one
SMILESC=C1C(=O)N(Cc2cc(OC)c(OC)c(OC)c2)C1c1ccc(OC)cc1
InChIInChI=1S/C21H23NO5/c1-13-19(15-6-8-16(24-2)9-7-15)22(21(13)23)12-14-10-17(25-3)20(27-5)18(11-14)26-4/h6-11,19H,1,12H2,2-5H3
InChIKeyYIHGIIPTPNNSBQ-UHFFFAOYSA-N
MW369.42 g/mol
LogP3.36
Rot. Bonds7

About 4-(4-methoxyphenyl)-3-methylidene-1-[(3,4,5-trimethoxyphenyl)methyl]azetidin-2-one

4-(4-methoxyphenyl)-3-methylidene-1-[(3,4,5-trimethoxyphenyl)methyl]azetidin-2-one (PubChem CID 123262644) has the molecular formula C21H23NO5 and a molecular weight of 369.42 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-3-methylidene-1-[(3,4,5-trimethoxyphenyl)methyl]azetidin-2-one.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-3-methylidene-1-[(3,4,5-trimethoxyphenyl)methyl]azetidin-2-one
PubChem CID123262644
Molecular FormulaC21H23NO5
Molecular Weight369.42 g/mol
Exact Mass369.16
IUPAC Name4-(4-methoxyphenyl)-3-methylidene-1-[(3,4,5-trimethoxyphenyl)methyl]azetidin-2-one
SMILESC=C1C(=O)N(Cc2cc(OC)c(OC)c(OC)c2)C1c1ccc(OC)cc1
InChIInChI=1S/C21H23NO5/c1-13-19(15-6-8-16(24-2)9-7-15)22(21(13)23)12-14-10-17(25-3)20(27-5)18(11-14)26-4/h6-11,19H,1,12H2,2-5H3
InChIKeyYIHGIIPTPNNSBQ-UHFFFAOYSA-N
XLogP3.36
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Trocimine
CID 26650
Piperazine, 1,4-bis(3,4,5-trimethoxybenzoyl)-
CID 120984
2-Methyl-1,4-bis(3,4,5-trimethoxybenzoyl)piperazine
CID 460553
1-(3-Phenylprop-2-enyl)-4-(3,4,5-trimethoxybenzoyl)piperazine
CID 1048988
1-[3-(3,4,5-Trimethoxyphenyl)propanoyl]-2,3-dihydropyridin-6-one
CID 613753
N-Benzyl-3,4,5-trimethoxybenzamide
CID 736962
[3-Ethyl-4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 460656
[3-Decyl-4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 467253
(4-Pentan-3-ylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 1131674
N-(3-phenylpropyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 2650216
3,4,5-triethoxy-N-(4-phenylbutan-2-yl)benzamide
CID 2915951
1-Benzyl-4-(2,3-dimethoxyphenyl)-3,3-difluoroazetidin-2-one
CID 3469571

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-3-methylidene-1-[(3,4,5-trimethoxyphenyl)methyl]azetidin-2-one?
The IUPAC name of 4-(4-methoxyphenyl)-3-methylidene-1-[(3,4,5-trimethoxyphenyl)methyl]azetidin-2-one (CID 123262644) is 4-(4-methoxyphenyl)-3-methylidene-1-[(3,4,5-trimethoxyphenyl)methyl]azetidin-2-one.
What is the SMILES notation for 4-(4-methoxyphenyl)-3-methylidene-1-[(3,4,5-trimethoxyphenyl)methyl]azetidin-2-one?
The canonical SMILES for 4-(4-methoxyphenyl)-3-methylidene-1-[(3,4,5-trimethoxyphenyl)methyl]azetidin-2-one is C=C1C(=O)N(Cc2cc(OC)c(OC)c(OC)c2)C1c1ccc(OC)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-3-methylidene-1-[(3,4,5-trimethoxyphenyl)methyl]azetidin-2-one?
The InChIKey is YIHGIIPTPNNSBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO5/c1-13-19(15-6-8-16(24-2)9-7-15)22(21(13)23)12-14-10-17(25-3)20(27-5)18(11-14)26-4/h6-11,19H,1,12H2,2-5H3.
What are the key properties of 4-(4-methoxyphenyl)-3-methylidene-1-[(3,4,5-trimethoxyphenyl)methyl]azetidin-2-one?
4-(4-methoxyphenyl)-3-methylidene-1-[(3,4,5-trimethoxyphenyl)methyl]azetidin-2-one has a molecular weight of 369.42 g/mol, XLogP of 3.36, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-3-methylidene-1-[(3,4,5-trimethoxyphenyl)methyl]azetidin-2-one is sourced from PubChem (CID 123262644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).